1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine

C50H105F3N12O2 — CID 167592538

IUPAC1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)N(C)C(C)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H22N2.C9H17F3N2.2C8H16N2O.C8H18N2.C7H16N2/c1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;2*1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8-4-6-9/h8-10H,6-7H2,1-5H3;8H,3-7H2,1-2H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyIPQVPJKZMYPUFK-UHFFFAOYSA-N
MW963.47 g/mol
LogP4.27
Rot. Bonds7

About 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine

1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine (PubChem CID 167592538) has the molecular formula C50H105F3N12O2 and a molecular weight of 963.47 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
PubChem CID167592538
Molecular FormulaC50H105F3N12O2
Molecular Weight963.47 g/mol
Exact Mass962.84
IUPAC Name1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)N(C)C(C)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H22N2.C9H17F3N2.2C8H16N2O.C8H18N2.C7H16N2/c1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;2*1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8-4-6-9/h8-10H,6-7H2,1-5H3;8H,3-7H2,1-2H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyIPQVPJKZMYPUFK-UHFFFAOYSA-N
XLogP4.27
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 167601426
1-Tert-butyl-4-methylpiperazine;1-tert-butylpiperazine;2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158685661
(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;2-ethyl-4-methyl-1-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 158792794
1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine
CID 160408040
N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;tris(2-(4-methylpiperazin-1-yl)-N-propylacetamide)
CID 160507973
2-(4-Methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 162077646
CID 168321432
CID 168321432

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine (CID 167592538) is 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine is CC(C)N1CC(C)N(C)C(C)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCNCC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
The InChIKey is IPQVPJKZMYPUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H17F3N2.2C8H16N2O.C8H18N2.C7H16N2/c1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;2*1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8-4-6-9/h8-10H,6-7H2,1-5H3;8H,3-7H2,1-2H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine has a molecular weight of 963.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 167592538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).